methyl (5E)-5-(aminocarbonylhydrazinylidene)-2-oxidanylidene-3-(phenylcarbonyl)hexanoate

Systemtic Name: methyl (5E)-5-(aminocarbonylhydrazinylidene)-2-oxidanylidene-3-(phenylcarbonyl)hexanoate Openeye Name: methyl (5E)-3-benzoyl-5-(carbamoylhydrazono)-2-oxo-hexanoate CAS Name: (5E)-3-benzoyl-5-(carbamoylhydrazinylidene)-2-oxohexanoic acid methyl ester IUPAC Name: methyl (5E)-3-benzoyl-5-(carbamoylhydrazinylidene)-2-oxohexanoate Traditional Name: (5E)-3-benzoyl-2-keto-5-semicarbazono-hexanoic acid methyl ester Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)N)CC(C(=O)C1=CC=CC=C1)C(=O)C(=O)OC

Isomeric SMILES

C/C(=N\NC(=O)N)/CC(C(=O)C1=CC=CC=C1)C(=O)C(=O)OC

InChI

InChI=1S/C15H17N3O5/c1-9(17-18-15(16)22)8-11(13(20)14(21)23-2)12(19)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H3,16,18,22)/b17-9+